Related papers: Hydrogen-Ti$^{3+}$ Complex as a Possible Origin of…
The hyperfine features and thermal stability of a muonium (Mu)-related paramagnetic center were investigated in the SrTiO$_3$ perovskite titanate via muon spin rotation spectroscopy. The hyperfine coupling tensor of the paramagnetic center…
The electronic and magnetic states of $\beta$-MnO$_{2}$ in terms of hydrogen impurities have been investigated by muon spin rotation ($\mu$SR) technique combined with density-functional theory (DFT) calculations for muon as pseudo-hydrogen.…
The question whether excess electrons in SrTiO3 form free or trapped carriers is a crucial aspect for the electronic properties of this important material. This fundamental ambiguity prevents a consistent interpretation of the puzzling…
The behavior of electrons in the conduction band of TiO2 and other transition-metal oxides is key to the many applications of these materials. Experiments seem to produce conflicting results: optical and spin-resonance techniques reveal…
Composites of ferroelectric and paraelectric perovskites have attracted a lot of attention due to their application potential in energy storage as well as novel computing and memory devices. So far the main focus of research has been on…
Motivated by the puzzling report of the observation of a ferromagnetic insulating state in LaMnO$_3$/SrTiO$_3$ heterostructures, we calculate the electronic and magnetic state of LaMnO$_3$, coherently matched to a SrTiO$_3$ square substrate…
Excited configurations of hydrogen in the oxyhydride BaTiO$_{3-x}$H$_x$ ($x=0.1-0.5$), which are considered to be involved in its hydrogen transport and exchange processes, were investigated by positive muon spin relaxation ($\mu^+$SR)…
The local electronic structure of muons (Mu) as dilute pseudo-hydrogen in single-crystalline $\beta$-Ga$_2$O$_3$ has been studied by the muon spin rotation/relaxation ($\mu$SR). High-precision measurements over a long time range of $\sim$25…
In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…
We report a comprehensive muon spin rotation ($\mu$SR) study of the prototypical magnetoelectric antiferromagnet Cr$_2$O$_3$. We find the positively charged muon ($\mu^+$) occupies several distinct interstitial sites, and displays a rich…
Mn-doped SrTiO_3.0, when synthesized free of impurities, is a paramagnetic insulator with interesting dielectric properties. Since delocalized charge carriers are known to promote ferromagnetism in a large number of systems via diverse…
We perform detailed muon spin rotation ($\mu$SR) measurements in the classic antiferromagnet Fe$_2$O$_3$ and explain the spectra by considering dynamic population and dissociation of charge-neutral muon-polaron complexes. We show that…
Magnesium hydride has great potential as a solid hydrogen (H) storage material because of its high H storage capacity of 7.6 wt%. However, its slow hydrogenation and dehydrogenation kinetics and the high temperature of 300 $^\circ$C…
We consider theoretically the paramagnetic phases of EuTiO3 that represent configurations created by two sets of microscopic degrees of freedom (m-DOF): positional symmetry breaking due to octahedral rotations and magnetic symmetry breaking…
We investigate the formation of self-trapped holes (STH) in three prototypical perovskites (SrTiO3, BaTiO3, PbTiO3) using a combination of density functional theory (DFT) calculations with local potentials and hybrid functionals. First we…
A microscopic control over the origin and dynamics of localised spin centres in lower dimensional solids turns out to be a key factor for next generation spintronics and quantum technologies. With the help of low temperature electron…
Here we report on an elastic and inelastic neutron scattering study addressing the effect of electric fields on quantum paraelectric SrTiO3. Our elastic scattering results find small changes as a function of field in a superlattice…
We have analyzed two mechanisms proposed recently for superconductivity in doped SrTiO3 - the plasmon-mediated pairing and the potential of an instantaneous attraction between two electrons that owes its origin to the exchange by…
Defects in crystalline silicon consisting of a silicon self-interstitial atom and one, two, three, or four hydrogen atoms are studied within density-functional theory (DFT). We search for low-energy defects by starting from an ensemble of…
Electron correlations tend to generate local magnetic moments that usually order if the lattices are not too frustrated. The hexagonal compound SrRu$_2$O$_6$ has a relatively high Neel temperature but small local moments, which seem to be…